N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

C16H23Cl2N3O2 — CID 119588241

IUPACN-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(C)CC(CN)NC(=O)C(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N3O2/c1-9(2)7-11(8-19)21-15(22)10(3)20-16(23)12-5-4-6-13(17)14(12)18/h4-6,9-11H,7-8,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIGEZSCRCFFVHAS-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.60
Rot. Bonds7

About N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide

N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (PubChem CID 119588241) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
PubChem CID119588241
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC NameN-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
SMILESCC(C)CC(CN)NC(=O)C(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N3O2/c1-9(2)7-11(8-19)21-15(22)10(3)20-16(23)12-5-4-6-13(17)14(12)18/h4-6,9-11H,7-8,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIGEZSCRCFFVHAS-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
CID 119587216
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119587670
3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119228702
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide (CID 119588241) is N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is CC(C)CC(CN)NC(=O)C(C)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
The InChIKey is IGEZSCRCFFVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-9(2)7-11(8-19)21-15(22)10(3)20-16(23)12-5-4-6-13(17)14(12)18/h4-6,9-11H,7-8,19H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide?
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide has a molecular weight of 360.29 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 119588241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).